N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine

C14H21NO — CID 60883169

IUPACN-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
SMILESC/C=C/COc1cccc(CNCCC)c1
InChIInChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-7-13(11-14)12-15-9-4-2/h3,5-8,11,15H,4,9-10,12H2,1-2H3/b5-3+
InChIKeySVGRUNRINGQXJI-HWKANZROSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds7

About N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine

N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine (PubChem CID 60883169) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
PubChem CID60883169
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
SMILESC/C=C/COc1cccc(CNCCC)c1
InChIInChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-7-13(11-14)12-15-9-4-2/h3,5-8,11,15H,4,9-10,12H2,1-2H3/b5-3+
InChIKeySVGRUNRINGQXJI-HWKANZROSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine (CID 60883169) is N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine is C/C=C/COc1cccc(CNCCC)c1.
What is the InChIKey of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine?
The InChIKey is SVGRUNRINGQXJI-HWKANZROSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-7-13(11-14)12-15-9-4-2/h3,5-8,11,15H,4,9-10,12H2,1-2H3/b5-3+.
What are the key properties of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine?
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60883169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).